ChemSpider 2D Image | 2-({9-[(1-Methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenol | C28H34N2O3S

2-({9-[(1-Methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenol

  • Molecular FormulaC28H34N2O3S
  • Average mass478.646 Da
  • Monoisotopic mass478.229004 Da
  • ChemSpider ID22130819

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-({9-[(1-Methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenol [ACD/IUPAC Name]
2-({9-[(1-Methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}methyl)phenol [German] [ACD/IUPAC Name]
2-({9-[(1-Méthyl-3-pipéridinyl)méthoxy]-7-(5-méthyl-2-thiényl)-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl}méthyl)phénol [French] [ACD/IUPAC Name]
Phenol, 2-[[2,3-dihydro-9-[(1-methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-1,4-benzoxazepin-4(5H)-yl]methyl]- [ACD/Index Name]
2-{[9-[(1-methyl-3-piperidinyl)methoxy]-7-(5-methyl-2-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]methyl}phenol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 138.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.06
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 21.81
ACD/KOC (pH 7.4): 91.49
Polar Surface Area: 73 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 401.4±3.0 cm3

Click to predict properties on the Chemicalize site


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